CID 18802061

937691-16-2

Structural Information

Molecular Formula
C13H15N3O4
SMILES
CCN1C2=C(C(=CC(=N2)C(C)C)C(=O)O)C(=O)NC1=O
InChI
InChI=1S/C13H15N3O4/c1-4-16-10-9(11(17)15-13(16)20)7(12(18)19)5-8(14-10)6(2)3/h5-6H,4H2,1-3H3,(H,18,19)(H,15,17,20)
InChIKey
MJKPBWIDJWASIC-UHFFFAOYSA-N
Compound name
1-ethyl-2,4-dioxo-7-propan-2-ylpyrido[2,3-d]pyrimidine-5-carboxylic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

277.10626 Da
Monoisotopic Mass

0.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 278.11354 162.1
[M+Na]+ 300.09548 174.8
[M+NH4]+ 295.14008 166.3
[M+K]+ 316.06942 171.1
[M-H]- 276.09898 160.1
[M+Na-2H]- 298.08093 164.6
[M]+ 277.10571 163.0
[M]- 277.10681 163.0
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

No literature data available for this compound.

Patent stripe

No patent data available for this compound.